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N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-4-(2,5-dimethylpyrrol-1-yl)benzohydrazide

N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-4-(2,5-dimethylpyrrol-1-yl)benzohydrazide

Formula: C29H28BrN3O3

SMILES: COC1=CC(C=NNC(=O)C2=CC=C(C=C2)N2C(C)=CC=C2C)=C(Br)C=C1OCC1=CC=C(C)C=C1

IUPAC: N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzohydrazide

InChI: InChI=1S/C29H28BrN3O3/c1-19-5-9-22(10-6-19)18-36-28-16-26(30)24(15-27(28)35-4)17-31-32-29(34)23-11-13-25(14-12-23)33-20(2)7-8-21(33)3/h5-17H,18H2,1-4H3,(H,32,34)/b31-17+

Composition: C (63.74%), H (5.16%), Br (14.62%), N (7.69%), O (8.78%)

Molar Mass: 546.465

Atom Count: 64

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 545.131405
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LZRGWCGUIHCPHA-KBVAKVRCSA-N
Lipinski's Rule of Five
Molar Refractivity 158.49
Topological Polar Surface Area 64.85
Polarizability 55.87
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H28BrN3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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